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CAS 173448-31-2 5-Hexyl-2,2μ-bithiophene molecular structure lightbox
CAS RN: 173448-31-2

5-Hexyl-2,2μ-bithiophene

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 1g In stock Inquiry
Batchno.20260526 250mg In stock Inquiry
Batchno.20251121 5g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-076166
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 173448-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

173448-31-2 / 2-hexyl-5-thiophen-2-ylthiophene

Standard CAS: 173448-31-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
173448-31-2
Multi CAS
No
Molecular Formula
C14H18S2
Molecular Weight
250.400000
Exact Mass
250.084993
SMILES
CCCCCCC1=CC=C(S1)C2=CC=CS2
InChI
InChI=1S/C14H18S2/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11H,2-5,7H2,1H3
InChIKey
NUONHINJVGHSCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
75.48
TPSA
56.5000

LogP / Solubility

WLOGP
5.6
MLOGP
4.93
XLogP3
5.8
Consensus LogP
5.44
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

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